Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 3/20 | 0.31 |
| ▸ | CLK2 | P49760 | 2/20 | 0.31 |
| ▸ | CLK3 | P49761 | 2/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27605949 | 0.92 | KIF11 (0.39) | KIF11NPY5RCDK4CCND1KDM4E | |
| SCHEMBL27830824 | 0.85 | CYP11B1 (0.43) | CYP11B1KIF11CDK4CCND1KDM4E | |
| Isoquinoline SCHEMBL27749908 | 0.84 | CYP11B1 (0.39) | CYP11B1KIF11CDK4CCND1KDM4E | |
| Isoquinoline SCHEMBL27770797 | 0.83 | CYP11B1 (0.52) | CYP11B1KDM4ENPC1SMN1; SMN2RAB9A | |
| Isoquinoline SCHEMBL27611513 | 0.81 | NCOA3 (0.35) | CYP11B1KIF11CDK4CCND1KDM4E | |
| SCHEMBL27300031 | 0.80 | ALDH1A1 (0.41) | CYP11B1KIF11CDK4CCND1ALDH1A1 | |
| Isoquinoline SCHEMBL27510953 | 0.80 | NCOA3 (0.34) | CYP11B1KIF11CDK4CCND1KDM4E | |
| Isoquinoline SCHEMBL28791581 | 0.80 | NCOA3 (0.34) | CYP11B1KIF11CDK4CCND1KDM4E | |
| Isoquinoline SCHEMBL27640918 | 0.80 | NCOA3 (0.34) | CYP11B1KIF11CDK4CCND1KDM4E | |
| Isoquinoline SCHEMBL27679477 | 0.80 | KDM4E (0.45) | CYP11B1KIF11CDK4CCND1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102076686-B | Diketopiperidine derivatives as HIV attachment inhibitors | BRISTOL MYERS SQUIBB CO | 2013-03-06 | — | — | CN | disclosed |
| CN-102076686-A | Diketopiperidine derivatives as HIV attachment inhibitors | BRISTOL MYERS SQUIBB CO | 2011-05-25 | — | — | CN | disclosed |